1.0 2010-04-08 22:04:34 UTC 2020-02-24 19:10:07 UTC FDB000439 O-Methylcorypalline Alkaloid from Nelumbo nucifera (East Indian lotus). O-Methylcorypalline is found in tea, coffee and coffee products, and sacred lotus. 1,2,3,4-Tetrahydro-6,7-dimethoxy-2-methyl-isoquinoline 1,2,3,4-Tetrahydro-6,7-dimethoxy-2-methylisoquinoline 6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl- N-Methyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline N-methyl-corypalline N-Methylheliamine O-Methylcorypalline C12H17NO2 207.2689 207.125928793 6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline 6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline 16620-96-5 COC1=CC2=C(CN(C)CC2)C=C1OC InChI=1S/C12H17NO2/c1-13-5-4-9-6-11(14-2)12(15-3)7-10(9)8-13/h6-7H,4-5,8H2,1-3H3 TXPPKWZEHFNZOE-UHFFFAOYSA-N belongs to the class of organic compounds known as tetrahydroisoquinolines. These are tetrahydrogenated isoquinoline derivatives. Tetrahydroisoquinolines Organic compounds Organoheterocyclic compounds Tetrahydroisoquinolines Aromatic heteropolycyclic compounds Alkyl aryl ethers Anisoles Aralkylamines Azacyclic compounds Hydrocarbon derivatives Organopnictogen compounds Trialkylamines Alkyl aryl ether Amine Anisole Aralkylamine Aromatic heteropolycyclic compound Azacycle Benzenoid Ether Hydrocarbon derivative Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Tertiary aliphatic amine Tertiary amine Tetrahydroisoquinoline logp 1.62 ALOGPS logs -1.98 ALOGPS solubility 2.19e+00 g/l ALOGPS melting_point Mp 82° (hemihydrate) logp 1.64 ChemAxon pka_strongest_basic 9.03 ChemAxon iupac 6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline ChemAxon average_mass 207.2689 ChemAxon mono_mass 207.125928793 ChemAxon smiles COC1=CC2=C(CN(C)CC2)C=C1OC ChemAxon formula C12H17NO2 ChemAxon inchi InChI=1S/C12H17NO2/c1-13-5-4-9-6-11(14-2)12(15-3)7-10(9)8-13/h6-7H,4-5,8H2,1-3H3 ChemAxon inchikey TXPPKWZEHFNZOE-UHFFFAOYSA-N ChemAxon polar_surface_area 21.7 ChemAxon refractivity 60.84 ChemAxon polarizability 23.69 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 3397 Specdb::MsIr 3398 Specdb::CMs 13806 Specdb::CMs 167012 Specdb::NmrOneD 157830 Specdb::NmrOneD 157831 Specdb::NmrOneD 157832 Specdb::NmrOneD 157833 Specdb::NmrOneD 157834 Specdb::NmrOneD 157835 Specdb::NmrOneD 157836 Specdb::NmrOneD 157837 Specdb::NmrOneD 157838 Specdb::NmrOneD 157839 Specdb::NmrOneD 157840 Specdb::NmrOneD 157841 Specdb::NmrOneD 157842 Specdb::NmrOneD 157843 Specdb::NmrOneD 157844 Specdb::NmrOneD 157845 Specdb::NmrOneD 157846 Specdb::NmrOneD 157847 Specdb::NmrOneD 157848 Specdb::NmrOneD 157849 Specdb::MsMs 74709 Specdb::MsMs 74710 Specdb::MsMs 74711 Specdb::MsMs 134169 Specdb::MsMs 134170 Specdb::MsMs 134171 Specdb::MsMs 2846537 Specdb::MsMs 2846538 Specdb::MsMs 2846539 Specdb::MsMs 2862424 Specdb::MsMs 2862425 Specdb::MsMs 2862426 HMDB29370 #<Reference:0x0000561272d006a8> Arabica coffee Type 1 specific Coffea arabica 13443 Black tea Type 1 Coffee and coffee products Unknown generic Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Robusta coffee Type 1 specific Coffea canephora 49390 Sacred lotus Type 1 specific Nelumbo nucifera 4432 Tea Type 1 specific Camellia sinensis 4442